SCHEMBL21786448

SCHEMBL21786448

Cn1nc(-c2ccc(OCc3ccc(Cl)cc3)c(-c3cccnc3)c2O)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.39
CYP11B2 P19099 6/20 0.39
CYP19A1 P11511 3/20 0.39
LRRK2 Q5S007 2/20 0.36
SMPD1 P17405 1/20 0.35
EPHX2 P34913 1/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGER1 P34995 3/20 0.35
PSD A5PKW4 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
SRPK3 Q9UPE1 1/20 0.34
TBXA2R P21731 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21786493 0.88 PTGER1 (0.39) MEN1KMT2APTGER1CYP2C9ALDH1A1
SCHEMBL21786627 0.88 MAPT (0.41) LRRK2MEN1HTTKMT2APTGER1
SCHEMBL21786590 0.86 NPSR1 (0.36) MEN1KMT2APTGER1ALDH1A1
SCHEMBL21786446 0.86 PTGER1 (0.40) LRRK2KMT2APTGER1CYP2C9RAB9A
SCHEMBL21786420 0.86 PTPN1 (0.40) MEN1KMT2APTGER1ALDH1A1
SCHEMBL22825444 0.86 PTGER1 (0.33) MEN1KMT2APTGER1ALDH1A1RAB9A
SCHEMBL21786542 0.86 USP7 (0.35) PTGER1TBXA2R
SCHEMBL21786412 0.85 MRGPRX4 (0.40) LRRK2PTGER1PSDCYP2C9RAB9A
SCHEMBL21786450 0.85 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1LRRK2SMPD1
SCHEMBL23913065 0.84 SMN1; SMN2 (0.34) MEN1HTTKMT2APTGER1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 US disclosed
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 US disclosed
WO-2020257261-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-24 WO disclosed
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 US disclosed
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 CYP11B1 3260/4885CYP11B2 3531/4885CYP19A1 3457/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 CYP11B1 3260/4885CYP11B2 3531/4885CYP19A1 3457/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 CYP11B1 3260/4885CYP11B2 3531/4885CYP19A1 3457/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.